[gmx-users] grompp warning: No default Proper Dih. types, using zeroes

Arturas a3arzi at vaidila.vdu.lt
Thu Jul 10 16:08:00 CEST 2003


I use default FF.

---------------------------->
>> After grompp got the WARNINGS (below). All warings to Fe atom of HEME,
>> which is linked to HIS. What is wrong ??

DvdS> which force field? Should work with ffgmx and ffG43a1

>> 
>> calling /lib/cpp...
>> processing topology...
>> Generated 1125 of the 1326 non-bonded parameter combinations
>> WARNING 1 [file "arp2.top", line 18640]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 2 [file "arp2.top", line 18641]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 3 [file "arp2.top", line 18642]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 4 [file "arp2.top", line 18643]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 5 [file "arp2.top", line 18644]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 6 [file "arp2.top", line 18645]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 7 [file "arp2.top", line 18646]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 8 [file "arp2.top", line 18647]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 9 [file "arp2.top", line 18648]:
>>   No default Proper Dih. types, using zeroes
>> WARNING 10 [file "arp2.top", line 18649]:
>>   No default Proper Dih. types, using zeroes
>> Cleaning up temporary file gromppp8lLnE
>> Fatal error: Too many warnings, grompp terminated
>> 
>> Arturas
>> 
>> 
>> 
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<---------------------------

Puikios dienos
Arturas

http://biologija.vdu.lt/person/ziemar/index.html






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